RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0135020
RefMet name	MG 0:0/18:1(9Z)/0:0
Alternative name	MG(0:0/18:1(9Z)/0:0)
Systematic name	2-(9Z-octadecenoyl)-sn-glycerol
Synonyms	PubChem Synonyms
Sum Composition	MG 18:1	View other entries in RefMet with this sum composition
Exact mass	356.292660 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C21H40O4	View other entries in RefMet with this formula
Molecular descriptors
Molfile	5774 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-
InChIKey	UPWGQKDVAURUGE-KTKRTIGZSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Glycerolipids
Main Class	Monoradylglycerols
Sub Class	MAG
Distribution of MG 0:0/18:1(9Z)/0:0 in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Studies	NMDR Studies reporting MG 0:0/18:1(9Z)/0:0
External Links
Pubchem CID	5319879
LIPID MAPS	LMGL01010024
ChEBI ID	73990
KEGG ID	C01885
HMDB ID	HMDB0011537
Chemspider ID	4478086
MetaCyc ID	CPD0-1812
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving MG 0:0/18:1(9Z)/0:0

Rxn ID	KEGG Reaction	Enzyme
R01351	1-Acylglycerol + H2O <=> Glycerol + Fatty acid	1-acylglycerol acylhydrolase
R02687	1,2-Diacyl-sn-glycerol + H2O <=> 1-Acylglycerol + Fatty acid	1,2-diacyl-sn-glycerol acylhydrolase
R02757	ATP + 1-Acylglycerol <=> ADP + 1-Acyl-sn-glycerol 3-phosphate	ATP:acylglycerol 3-phosphotransferase
R03755	Acyl-CoA + 1-Acylglycerol <=> CoA + 1,2-Diacyl-sn-glycerol	acyl-CoA:2-acylglycerol O-acyltransferase
R03756	2,3-Dehydroacyl-CoA + 1-Acylglycerol <=> CoA + 1,2-Diacyl-sn-glycerol	2,3-dehydroacyl-CoA:2-acylglycerol O-acyltransferase
R11527	1-Acyl-sn-glycerol 3-phosphate + H2O <=> 1-Acylglycerol + Orthophosphate	1-acyl-sn-glycerol 3-phosphate phosphohydrolase

Table of KEGG human pathways containing MG 0:0/18:1(9Z)/0:0

Pathway ID	Human Pathway	# of reactions
hsa00561	Glycerolipid metabolism	5
hsa01100	Metabolic pathways	3